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Synonyms
3696-12-6|2-[(4-hydroxy-3-methoxyphenyl)methylidene]propanedinitrile|Vanillylidenemalononitrile|2-(4-Hydroxy-3-methoxybenzylidene)malononitrile|Malononitrile, vanillylidene-|(4-Hydroxy-3-methoxybenzylidene)malononitrile|NSC-61936|MALONONITRILE, (4-HYDROXY
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
V169959-250mg
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85,90US$

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Specifications

Sinónimos
3696-12-6 | 2-[(4-hydroxy-3-methoxyphenyl)methylidene]propanedinitrile | Vanillylidenemalononitrile | 2-(4-Hydroxy-3-methoxybenzylidene)malononitrile | Malononitrile, vanillylidene- | (4-Hydroxy-3-methoxybenzylidene)malononitrile | NSC-61936 | MALONONITRILE, (4-HYDROXY
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Nombres e identificadores
Sonrisas canónicasCOC1=C(C=CC(=C1)C=C(C#N)C#N)O
IUPAC Name2-[(4-hydroxy-3-methoxyphenyl)methylidene]propanedinitrile
InChIKeyWKTJJISTXUHPEQ-UHFFFAOYSA-N
INCHI1S/C11H8N2O2/c1-15-11-5-8(2-3-10(11)14)4-9(6-12)7-13/h2-5,14H,1H3
Isómeros SMILES COC1=C(C=CC(=C1)C=C(C#N)C#N)O
PubChem CID 19424
Peso molecular 200.199

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasePhenols
SubclassMethoxyphenols
Intermediate Tree Nodes Not available
Direct ParentMethoxyphenols
Alternative Parents Phenoxy compounds  Methoxybenzenes  Anisoles  Alkyl aryl ethers  1-hydroxy-2-unsubstituted benzenoids  Nitriles  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular200.190 g/mol
XLogP31.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass200.059 Da
Monoisotopic Mass200.059 Da
Topological Polar Surface Area77.000 Ų
Heavy Atom Count15
Formal Charge0
Complexity326.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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